N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide

C13H18ClNO3 — CID 107706016

IUPACN-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
SMILESCCC(CCCl)CNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H18ClNO3/c1-2-9(3-4-14)8-15-13(18)10-5-11(16)7-12(17)6-10/h5-7,9,16-17H,2-4,8H2,1H3,(H,15,18)
InChIKeyHWAAFHYCOICKTQ-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.48
Rot. Bonds6

About N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide

N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide (PubChem CID 107706016) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
PubChem CID107706016
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide
SMILESCCC(CCCl)CNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H18ClNO3/c1-2-9(3-4-14)8-15-13(18)10-5-11(16)7-12(17)6-10/h5-7,9,16-17H,2-4,8H2,1H3,(H,15,18)
InChIKeyHWAAFHYCOICKTQ-UHFFFAOYSA-N
XLogP2.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 114306557
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
N-(4-chloro-2-ethylbutyl)-4-nitrobenzamide
CID 114306473
N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
CID 107706110
N-(2-ethylpentyl)-3,5-difluoro-4-hydroxybenzamide
CID 171503801
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
N-(4-chloro-2-ethylbutyl)-3-methoxy-4-nitrobenzamide
CID 104784809
N-(3-chloropropyl)-3,5-dihydroxybenzamide
CID 107705954

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide (CID 107706016) is N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide is CCC(CCCl)CNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide?
The InChIKey is HWAAFHYCOICKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-2-9(3-4-14)8-15-13(18)10-5-11(16)7-12(17)6-10/h5-7,9,16-17H,2-4,8H2,1H3,(H,15,18).
What are the key properties of N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide?
N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide has a molecular weight of 271.74 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107706016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).